Compound Detail
CHEMBL1828820
ARTEFENOMEL 🧪 Phase II
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🧪 Phase II
c1cc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL1828820 |
| Name | ARTEFENOMEL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | XLCNVWUKICLURR-NTNLSYPKSA-N |
1
Targets
9
Activities
2
Assay Types
15
PK Parameters
20
Publications
3
Known Names
4
Indications
Molecular Properties
469.6
MW (Da)
4.88
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Malaria Malaria, Falciparum Malaria, Vivax Schistosomiasis haematobia
Activity Summary
IC50 8 meas. best 8.7
EC50 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.7 | 8.4663 | 2.0 | 8 |
| Plasmodium falciparum CHEMBL364 | EC50 | 8.47 | 8.47 | 3.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 24763.06 | ng.hr.mL-1 | Mus musculus |
| AUC | 18169.6 | ng.hr.mL-1 | Mus musculus |
| CL | 14.0 | mL.min-1.g-1 | Mus musculus |
| CL | 14.0 | mL.min-1.g-1 | Mus musculus |
| CL | 18.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 68.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 68.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 3800.0 | nM | Mus musculus |
| F | 76.0 | % | Rattus norvegicus |
| T1/2 | 10.4 | hr | Mus musculus |
| T1/2 | 25.0 | hr | Homo sapiens |
| T1/2 | 20.0 | hr | Rattus norvegicus |
| T1/2 | 48.0 | hr | - |
| T1/2 | 25.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine